Search filters

List of works by Wenhui Mi

<scp>DFTpy</scp>: An efficient and object‐oriented platform for orbital‐free <scp>DFT</scp> simulations

scientific article published in 2020

ATLAS: A real-space finite-difference implementation of orbital-free density functional theory ⬇️

Ab Initio Structure and Dynamics of CO2 at Supercritical Conditions

scientific article published on 25 November 2019

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

First-principle optimal local pseudopotentials construction via optimized effective potential method

scientific article published on 01 April 2016

GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals

scientific article published on 13 May 2021

Nonlocal kinetic energy functionals by functional integration

scientific article published on 01 May 2018

O(NlogN) scaling method to evaluate the ion-electron potential of crystalline solids ⬇️

scientific article

Paulina is supported by:

About Paulina

Help